7Q4X
Crystal Structure of Equine Serum Albumin in Complex with Cefaclor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 61 |
| Unit cell lengths | 94.750, 94.750, 142.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.380 - 2.120 |
| R-factor | 0.1897 |
| Rwork | 0.187 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zbq |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.525 |
| Data reduction software | XDS (2.0) |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.380 | 2.490 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Number of reflections | 41089 | 6556 |
| <I/σ(I)> | 22.27 | 1.47 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 13.81 | 13.97 |
| CC(1/2) | 1.000 | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | Native ESA crystals grown in 2.0 M ammonium sulfate and 0.1 M acetate buffer at pH 5.0 soaked with cefaclor |
